N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide

C18H22ClN3O3 — CID 166767469

IUPACN-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide
SMILESCCC(CNC=O)C(=O)N1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H22ClN3O3/c1-2-12(10-20-11-23)18(24)22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,20,23)
InChIKeyFLNINWGMJSDSEE-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.96
Rot. Bonds6

About N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide

N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide (PubChem CID 166767469) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide.

Molecular Properties

Compound NameN-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide
PubChem CID166767469
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide
SMILESCCC(CNC=O)C(=O)N1CCC(c2noc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H22ClN3O3/c1-2-12(10-20-11-23)18(24)22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,20,23)
InChIKeyFLNINWGMJSDSEE-UHFFFAOYSA-N
XLogP2.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide?
The IUPAC name of N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide (CID 166767469) is N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide.
What is the SMILES notation for N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide?
The canonical SMILES for N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide is CCC(CNC=O)C(=O)N1CCC(c2noc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide?
The InChIKey is FLNINWGMJSDSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-2-12(10-20-11-23)18(24)22-7-5-13(6-8-22)17-15-4-3-14(19)9-16(15)25-21-17/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide?
N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide has a molecular weight of 363.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]butyl]formamide is sourced from PubChem (CID 166767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).